4-cyano-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-cyano-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-cyano-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-cyano-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-cyano-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-cyano-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C18H10N4O3S MolecularWeight: 362.362

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H10N4O3S/c1-2-9-21-15-8-7-14(22(24)25)10-16(15)26-18(21)20-17(23)13-5-3-12(11-19)4-6-13/h1,3-8,10H,9H2